4-[3-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)propanoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

Systemtic Name: 4-[3-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)propanoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Openeye Name: 4-[3-(4-methyl-3-oxo-quinoxalin-2-yl)propanoylamino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: 4-[[3-(4-methyl-3-oxo-2-quinoxalinyl)-1-oxopropyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-piperidinecarboxamide IUPAC Name: 4-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Traditional Name: 4-[3-(3-keto-4-methyl-quinoxalin-2-yl)propanoylamino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C27H34N6O5S MolecularWeight: 554.66106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C27H34N6O5S/c1-19-7-9-20(10-8-19)39(37,38)30-18-17-29-26(36)27(13-15-28-16-14-27)32-24(34)12-11-22-25(35)33(2)23-6-4-3-5-21(23)31-22/h3-10,28,30H,11-18H2,1-2H3,(H,29,36)(H,32,34)